CID 13670424

1(2h)-pyrimidinecarboxamide, 3,4-dihydro-2,4-dioxo-5-fluoro-n-(2-((2-(triethylsilyl)ethyl)thio)ethyl)-

Structural Information

Molecular Formula
C15H26FN3O3SSi
SMILES
CC[Si](CC)(CC)CCSCCNC(=O)N1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C15H26FN3O3SSi/c1-4-24(5-2,6-3)10-9-23-8-7-17-14(21)19-11-12(16)13(20)18-15(19)22/h11H,4-10H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKey
MCIXVCJVVPEUHL-UHFFFAOYSA-N
Compound name
5-fluoro-2,4-dioxo-N-[2-(2-triethylsilylethylsulfanyl)ethyl]pyrimidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

375.1448 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15208 186.3
[M+Na]+ 398.13402 192.7
[M-H]- 374.13752 184.1
[M+NH4]+ 393.17862 196.3
[M+K]+ 414.10796 186.9
[M+H-H2O]+ 358.14206 177.3
[M+HCOO]- 420.14300 197.6
[M+CH3COO]- 434.15865 213.8
[M+Na-2H]- 396.11947 185.0
[M]+ 375.14425 190.0
[M]- 375.14535 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe